Tortional move [rdkit version] #175
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kexul wants to merge 18 commits intoMobleyLab:masterfrom
kexul:master
Closed
Tortional move [rdkit version] #175kexul wants to merge 18 commits intoMobleyLab:masterfrom kexul:master
kexul wants to merge 18 commits intoMobleyLab:masterfrom
kexul:master
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No openeye license, use rdkit instaed
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Description
This is an alternative implementation of the torsional move by this PR, using rdkit to rotate the molecule, instead of OEChem.